8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one

C25H29N5O — CID 159575062

IUPAC8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCc1cc(N(C)C)ccc1C1(c2ccc(N(C)C)cc2C)NNC(=O)c2cccnc21
InChIInChI=1S/C25H29N5O/c1-16-14-18(29(3)4)9-11-21(16)25(22-12-10-19(30(5)6)15-17(22)2)23-20(8-7-13-26-23)24(31)27-28-25/h7-15,28H,1-6H3,(H,27,31)
InChIKeyMIHJGJKGXKSQPL-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.37
Rot. Bonds4

About 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one

8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one (PubChem CID 159575062) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
PubChem CID159575062
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCc1cc(N(C)C)ccc1C1(c2ccc(N(C)C)cc2C)NNC(=O)c2cccnc21
InChIInChI=1S/C25H29N5O/c1-16-14-18(29(3)4)9-11-21(16)25(22-12-10-19(30(5)6)15-17(22)2)23-20(8-7-13-26-23)24(31)27-28-25/h7-15,28H,1-6H3,(H,27,31)
InChIKeyMIHJGJKGXKSQPL-UHFFFAOYSA-N
XLogP3.37
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one (CID 159575062) is 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one is Cc1cc(N(C)C)ccc1C1(c2ccc(N(C)C)cc2C)NNC(=O)c2cccnc21.
What is the InChIKey of 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is MIHJGJKGXKSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-14-18(29(3)4)9-11-21(16)25(22-12-10-19(30(5)6)15-17(22)2)23-20(8-7-13-26-23)24(31)27-28-25/h7-15,28H,1-6H3,(H,27,31).
What are the key properties of 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one?
8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 415.54 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis[4-(dimethylamino)-2-methylphenyl]-6,7-dihydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 159575062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).